Stability analysis of graphene nanoribbons by molecular dynamics simulations


Dugan N., ERKOÇ Ş.

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, vol.245, no.4, pp.695-700, 2008 (Peer-Reviewed Journal) identifier identifier

  • Publication Type: Article / Article
  • Volume: 245 Issue: 4
  • Publication Date: 2008
  • Doi Number: 10.1002/pssb.200743461
  • Journal Name: PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
  • Journal Indexes: Science Citation Index Expanded, Scopus
  • Page Numbers: pp.695-700

Abstract

In this work, stability of graphene nanoribbons are investigated using molecular dynamics. Simulations include heating armchair and zigzag-edged nanoribbons of widths varying between one and nine hexagonal rings until the bonds between carbon atoms start to break. Breaking temperatures and binding energies per atom for different widths are presented for both armchair and zigzag-edged cases. A nontrivial relation between stability and width is observed and discussed.